trilithium;tris(dihydroxy(oxo)silane);phosphate

H6Li3O13PSi3 — CID 173434544

IUPACtrilithium;tris(dihydroxy(oxo)silane);phosphate
SMILESO=P([O-])([O-])[O-].O=[Si](O)O.O=[Si](O)O.O=[Si](O)O.[Li+].[Li+].[Li+]
InChIInChI=1S/3Li.H3O4P.3H2O3Si/c;;;1-5(2,3)4;3*1-4(2)3/h;;;(H3,1,2,3,4);3*1-2H/q3*+1;;;;/p-3
InChIKeyCMZZOXGTMMYEIN-UHFFFAOYSA-K
MW350.09 g/mol
LogP-16.65
Rot. Bonds

About trilithium;tris(dihydroxy(oxo)silane);phosphate

trilithium;tris(dihydroxy(oxo)silane);phosphate (PubChem CID 173434544) has the molecular formula H6Li3O13PSi3 and a molecular weight of 350.09 g/mol. Its IUPAC name is trilithium;tris(dihydroxy(oxo)silane);phosphate.

Molecular Properties

Compound Nametrilithium;tris(dihydroxy(oxo)silane);phosphate
PubChem CID173434544
Molecular FormulaH6Li3O13PSi3
Molecular Weight350.09 g/mol
Exact Mass349.93
IUPAC Nametrilithium;tris(dihydroxy(oxo)silane);phosphate
SMILESO=P([O-])([O-])[O-].O=[Si](O)O.O=[Si](O)O.O=[Si](O)O.[Li+].[Li+].[Li+]
InChIInChI=1S/3Li.H3O4P.3H2O3Si/c;;;1-5(2,3)4;3*1-4(2)3/h;;;(H3,1,2,3,4);3*1-2H/q3*+1;;;;/p-3
InChIKeyCMZZOXGTMMYEIN-UHFFFAOYSA-K
XLogP-16.65
TPSA258.84 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.09
LogP ≤ 5-16.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

trilithium;phosphoric acid;phosphate
CID 158468021
trilithium;iron(3+);diphosphate
CID 102600810
lithium;germanium(4+);phosphate
CID 91868528
hexalithium;decakis(dihydroxy(oxo)silane);hydride
CID 173441514
lithium;hafnium(4+);phosphate
CID 21452102
dilithium;bis(dihydroxy(oxo)silane);hydride
CID 173146524
zirconium(3+);phosphate;hydrate
CID 173357752
CID 170997253
CID 170997253
dilithium;bis(iron(2+));diphosphate
CID 157234237
dihydroxy(oxo)silane
CID 173025897
lithium;magnesium;phosphoric acid;phosphate
CID 172683948
trilithium;phosphane;phosphoric acid;phosphate
CID 172777858

Frequently Asked Questions

What is the IUPAC name of trilithium;tris(dihydroxy(oxo)silane);phosphate?
The IUPAC name of trilithium;tris(dihydroxy(oxo)silane);phosphate (CID 173434544) is trilithium;tris(dihydroxy(oxo)silane);phosphate.
What is the SMILES notation for trilithium;tris(dihydroxy(oxo)silane);phosphate?
The canonical SMILES for trilithium;tris(dihydroxy(oxo)silane);phosphate is O=P([O-])([O-])[O-].O=[Si](O)O.O=[Si](O)O.O=[Si](O)O.[Li+].[Li+].[Li+].
What is the InChIKey of trilithium;tris(dihydroxy(oxo)silane);phosphate?
The InChIKey is CMZZOXGTMMYEIN-UHFFFAOYSA-K. The full InChI is InChI=1S/3Li.H3O4P.3H2O3Si/c;;;1-5(2,3)4;3*1-4(2)3/h;;;(H3,1,2,3,4);3*1-2H/q3*+1;;;;/p-3.
What are the key properties of trilithium;tris(dihydroxy(oxo)silane);phosphate?
trilithium;tris(dihydroxy(oxo)silane);phosphate has a molecular weight of 350.09 g/mol, XLogP of -16.65, 0 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trilithium;tris(dihydroxy(oxo)silane);phosphate is sourced from PubChem (CID 173434544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).